CID 87070147

C35H35Si — CID 87070147

IUPAC—
SMILESC[Si](C)c1ccc2c(c1C1C(CC(C)(C)C)=Cc3c(-c4ccccc4)cccc31)Cc1ccccc1-2
InChIInChI=1S/C35H35Si/c1-35(2,3)22-25-21-30-26(23-12-7-6-8-13-23)16-11-17-29(30)33(25)34-31-20-24-14-9-10-15-27(24)28(31)18-19-32(34)36(4)5/h6-19,21,33H,20,22H2,1-5H3
InChIKeyBWJMYTYARUVPGH-UHFFFAOYSA-N
MW483.75 g/mol
LogP8.85
Rot. Bonds4

About CID 87070147

CID 87070147 (PubChem CID 87070147) has the molecular formula C35H35Si and a molecular weight of 483.75 g/mol.

Molecular Properties

Compound NameCID 87070147
PubChem CID87070147
Molecular FormulaC35H35Si
Molecular Weight483.75 g/mol
Exact Mass483.25
IUPAC Name—
SMILESC[Si](C)c1ccc2c(c1C1C(CC(C)(C)C)=Cc3c(-c4ccccc4)cccc31)Cc1ccccc1-2
InChIInChI=1S/C35H35Si/c1-35(2,3)22-25-21-30-26(23-12-7-6-8-13-23)16-11-17-29(30)33(25)34-31-20-24-14-9-10-15-27(24)28(31)18-19-32(34)36(4)5/h6-19,21,33H,20,22H2,1-5H3
InChIKeyBWJMYTYARUVPGH-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.75
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87070147?
The IUPAC name of CID 87070147 (CID 87070147) is not available.
What is the SMILES notation for CID 87070147?
The canonical SMILES for CID 87070147 is C[Si](C)c1ccc2c(c1C1C(CC(C)(C)C)=Cc3c(-c4ccccc4)cccc31)Cc1ccccc1-2.
What is the InChIKey of CID 87070147?
The InChIKey is BWJMYTYARUVPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35Si/c1-35(2,3)22-25-21-30-26(23-12-7-6-8-13-23)16-11-17-29(30)33(25)34-31-20-24-14-9-10-15-27(24)28(31)18-19-32(34)36(4)5/h6-19,21,33H,20,22H2,1-5H3.
What are the key properties of CID 87070147?
CID 87070147 has a molecular weight of 483.75 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87070147 is sourced from PubChem (CID 87070147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).